SCHEMBL1675291

SCHEMBL1675291

CCNC(=O)c1ccc(-c2ccc3ncnc(N(C)c4ccc(C)o4)c3c2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 13/20 0.50
CLK1 P49759 7/20 0.50
CLK2 P49760 6/20 0.50
DYRK1B Q9Y463 6/20 0.50
DYRK1A Q13627 4/20 0.49
CDK2 P24941 2/20 0.41
LMNA P02545 6/20 0.37
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC3 O15379 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
INSR P06213 1/20 0.36
PDGFRB P09619 1/20 0.36
PLK1 P53350 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1675133 0.87 CLK4 (0.60) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675146 0.87 CLK4 (0.50) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675053 0.86 CLK1 (0.64) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675096 0.86 CLK4 (0.49) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675221 0.82 CLK1 (0.49) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675230 0.81 CLK4 (0.60) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675012 0.79 CLK4 (0.51) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675287 0.79 CLK4 (0.79) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675147 0.78 CDK2 (0.48) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675010 0.78 CLK4 (0.43) CLK4CLK1CLK2DYRK1BDYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041655-A1 QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-07 WO claimed
WO-2011041655-A1 QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-07 WO disclosed